Cas no 94459-23-1 (ethyl 2-(tert-butoxycarbonyl)-3-methylbutanoate)
94459-23-1 structure
Product Name:ethyl 2-(tert-butoxycarbonyl)-3-methylbutanoate
CAS No:94459-23-1
MF:C12H23NO4
MW:245.315324068069
CID:2116110
PubChem ID:357735
Update Time:2025-04-21
ethyl 2-(tert-butoxycarbonyl)-3-methylbutanoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-(tert-butoxycarbonyl)-3-methylbutanoate
- NSC617254
- ethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
- NSC-617254
- SCHEMBL13956771
- Ethyl 2-(Boc-amino)-3-methylbutanoate
- 94459-23-1
- Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
- Ethyl2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
-
- Inchi: 1S/C12H23NO4/c1-7-16-10(14)9(8(2)3)13-11(15)17-12(4,5)6/h8-9H,7H2,1-6H3,(H,13,15)
- InChI Key: JNKNQMOSZQCECU-UHFFFAOYSA-N
- SMILES: O(C(NC(C(=O)OCC)C(C)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 245.16270821Da
- Monoisotopic Mass: 245.16270821Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 268
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 64.6?2
ethyl 2-(tert-butoxycarbonyl)-3-methylbutanoate Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Jason Wan Lab Chip, 2020,20, 4528-4538
94459-23-1 (ethyl 2-(tert-butoxycarbonyl)-3-methylbutanoate) Related Products
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